Journal of Physical Chemistry , 2004, V 108, N 11, March 18.

ARTICLES

DYNAMICS AND RELAXATION 
 
Picosecond Dynamics of the Photoexcited 
6-Methoxyquinoline and 6-Hydroxyquinoline
Molecules in Solution
Olivier Poizat, Elisabeth Bardez, Guy Buntinx, 
and Valerie Alain
pp 1873 - 1880; 
 
Photophysical Study of New Methanofullerene-TTF 
Dyads: An Obvious Intramolecular Charge 
Transfer in the Ground States
Hiroyuki Nishikawa, Shigeru Kojima, Takeshi Kodama, 
Isao Ikemoto, Shinzo Suzuki, Koichi Kikuchi,
Mamoru Fujitsuka, Hongxia Luo, Yasuyuki Araki,
and Osamu Ito
pp 1881 - 1890; 
 
Catalytic Reduction of O2 by Pyrazine Derivatives
Rong Wang, Takeyoshi Okajima, Fusao Kitamura, 
Susumu Kawauchi, Naoki Matsumoto, 
Thies Thiemann, Shuntaro Mataka, and Takeo Ohsaka
pp 1891 - 1899;
 
Photoinduced Electron and Energy Transfer 
Processes in a Bichromophoric Pyrene-Perylene 
Bisimide System
Baak Kukrer Kaleta, Rainer Dobrawa, 
Armin Sautter, Frank Wurthner, Mikhail Zimine, 
Luisa De Cola, and Rene M. Williams
pp 1900 - 1909; 
 
New Insights on the Excited-State Proton-Transfer 
Reactions of Betacarbolines: Cationic Exciplex Formation
Carmen Carmona, Manuel Balon, Antonio 
Sanchez Coronilla, and Maria A. Munoz
pp 1910 - 1918; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS 
 
Equilibrium Clusters of Metal Oxides
Willem K. Kegel
pp 1919 - 1922; 
 
Rydberg Series as Ionization Channels: 
Photoabsorption and Photoionization of the 
Atmospherically Relevant Molecule NO
E. Bustos, A. M. Velasco, I. Martin, and C. Lavin
pp 1923 - 1929; 
 
Rotationally Resolved Infrared Laser
Spectroscopy of (H2)n-HF and (D2)n-HF 
(n = 2-6) in Helium Nanodroplets
David T. Moore and Roger E. Miller
pp 1930 - 1937; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY 
 
Kinetics of the Reaction of Atomic Hydrogen
with Cyanoacetylene from T = 200 to 298 K
James K. Parker, Walter A. Payne, 
Regina J. Cody, and Louis J. Stief
pp 1938 - 1945; 
 
Kinetics and Mechanism of Pyrolysis 
of Methyltrichlorosilane
S. Hosein Mousavipour, Vahid Saheb, 
and Shapour Ramezani
pp 1946 - 1952;
 
Kinetics and Thermochemistry of the 
Hydroxycyclohexadienyl Radical Reaction
with O2: C6H6OH + O2  C6H6(OH)OO
Sergey Y. Grebenkin and Lev N. Krasnoperov
pp 1953 - 1963; 
 
Atmospheric Chemistry of CH3O(CF2CF2O)nCH3 
(n = 1-3): Kinetics and Mechanism of Oxidation 
Initiated by Cl Atoms and OH Radicals,
IR Spectra, and Global Warming Potentials
M. P. Sulbaek Andersen, M. D. Hurley, 
T. J. Wallington, F. Blandini, N. R. Jensen, 
V. Librando, J. Hjorth, G. Marchionni, 
M. Avataneo, M. Visca, F. M. Nicolaisen, and O. J. Nielsen
pp 1964 - 1972; 
 
Atmospheric Chemistry of Fluorinated Alcohols: 
Reaction with Cl Atoms and OH Radicals and 
Atmospheric Lifetimes
M. D. Hurley, T. J. Wallington, M. P. Sulbaek Andersen, 
D. A. Ellis, J. W. Martin, and S. A. Mabury
pp 1973 - 1979;  
 
Oxidation of Alkyl Ions, CnH2n+1+ (n = 1-5), in Reactions
with O2 and O3 in the Gas Phase
Skip Williams, W. B. Knighton, Anthony J. Midey, 
A. A. Viggiano, Stephan Irle, Qingfang Wang, and Keiji Morokuma
pp 1980 - 1989; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY 
 
Pulsed ENDOR Study of Water Coordination to 
Gd3+ Complexes in Orientationally Disordered Systems
Andrei V. Astashkin, Arnold M. Raitsimring, and Peter Caravan
pp 1990 - 2001; 
 
Molecular Structures of Fluorinated Cyclobutenes: 
A Coupled-Cluster Investigation
Attila G. Csaszar
pp 2002 - 2007; 
 
First-Principles Simulations of C-S Bond Cleavage
in Rhenium Thioether Complexes
Alessandra Magistrato, Patrick Maurer, 
Thomas Fassler, and Ursula Rothlisberger
pp 2008 - 2013; 
 
Dual Level Direct ab Initio and Density-Functional
Theory Dynamics Study on the Unimolecular
Decomposition of CH3OCH2 Radical
Qian Shu Li, Yue Zhang, and Shaowen Zhang
pp 2014 - 2019;
 
Hydration of the Fluoride Anion: Structures
and Absolute Hydration Free Energy
from First-Principles Electronic Structure Calculations
Chang-Guo Zhan and David A. Dixon
pp 2020 - 2029;
 
Solvation Stages of HCl and HBr in Crystalline
Phases with Methanol and Small Ethers:
Acid-Ether Cluster Complexes in Amorphous and Crystal Phases
J. Paul Devlin, Joanna Sadlej, Maxwell Hollman, and Victoria Buch
pp 2030 - 2043; 
 
s-Tetrazine in Aqueous Solution: A Density Functional
Study of Hydrogen Bonding and Electronic Excitations
Michael Odelius, Barbara Kirchner, and Jurg Hutter
pp 2044 - 2052;
 
Mode Tracking of Preselected Vibrations of 
One-Dimensional Molecular Wires
Johannes Neugebauer and Markus Reiher
pp 2053 - 2061;
 
The N2O·N2O, N2O·SO2, and (N2O)2·SO2
van der Waals Complexes: An ab Initio Theoretical Analysis
H. Valdes and J. A. Sordo
pp 2062 - 2071; 
  
Solution and Crystal Structures of Chiral Molecules
Can Be Significantly Different: 
tert-Butylphenylphosphinoselenoic Acid
Feng Wang, Prasad L. Polavarapu, Jozef Drabowicz,
Piotr Kiebasinski, Marek J. Potrzebowski, 
Marian Mikoajczyk, Micha W. Wieczorek,
Wiesaw W. Majzner, and Izabella aewska
pp 2072 - 2079;
 
Dimers of Ethanol
Volker Dyczmons
pp 2080 - 2086; 
 
Effects of Solvent and Solute Polarizability
on the Reorganization Energy of Electron Transfer
Shikha Gupta and Dmitry V. Matyushov
pp 2087 - 2096;  
 
Distortion of Electronic Structure in Solvated Molecules:
Tautomeric Equilibrium of 2-Pyridone and 
2-Hydroxypridine in Water Studied by the RISM-SCF Method
Hirofumi Sato, Fumio Hirata, and Shigeyoshi Sakaki
pp 2097 - 2102;
 
Extent of Delocalization of Vibrational Modes in Liquid
s as a Result of Competition between Diagonal
Disorder and Off-Diagonal Coupling
Hajime Torii
pp 2103 - 2107;
 
Rarefied Basis Sets for the Calculation of Optical Tensors. 
1. The Importance of Gradients on Hydrogen
Atoms for the Raman Scattering Tensor
Gerard Zuber and Werner Hug
pp 2108 - 2118; 
 
Solvent and Structural Effects in the N-H
Bond Homolytic Dissociation Energy
Jose R. B. Gomes, Maria D. M. C. 
Ribeiro da Silva, and Manuel A. V. Ribeiro da Silva
pp 2119 - 2130; 

GENERAL PHYSICAL CHEMISTRY 
 
Proton Transfer Equilibria in Schiff Bases
with Steric Repulsion
I. Krol-Starzomska, A. Filarowski, 
M. Rospenk, A. Koll, and S. Melikova
pp 2131 - 2138; 

ADDITIONS AND CORRECTIONS

 
Gas-Phase Reactions of U+ and U2+ with O2 
and H2O in a Quadrupole Ion Trap
Glen P. Jackson, Fred L. King, Douglas E. Goeringer, 
and Douglas C. Duckworth
pp 2139 - 2139;